SCHEMBL23484384

SCHEMBL23484384

CN(C)C(=O)c1c(O)cc(O)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
HPGD P15428 1/20 0.56
PTGS1 P23219 1/20 0.50
DRD3 P35462 1/20 0.50
ACHE P22303 2/20 0.48
FASN P49327 1/20 0.48
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
HSP90AA1 P07900 1/20 0.42
PDK2 Q15119 1/20 0.42
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN11 Q06124 1/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL629579 0.76 THRB (0.56) KMT2AMEN1HPGDPOLBHTT
2,4,6-Trihydroxyacetophenone SCHEMBL105416 0.72 CYP3A4 (1.00) CYP3A4KMT2AMEN1HPGDPTGS1
SCHEMBL11576641 0.71 PDK2 (0.68) CYP3A4KMT2AMEN1HPGDHSP90AA1
SCHEMBL6272879 0.71 FASN (0.75) CYP3A4KMT2AMEN1HPGDPTGS1
2,4,6-Trihydroxyacetophenone SCHEMBL564755 0.70 CYP3A4 (0.95) CYP3A4KMT2AMEN1HPGDPTGS1
2,4,6-Trihydroxyacetophenone SCHEMBL1421619 0.70 CYP3A4 (0.95) CYP3A4KMT2AMEN1HPGDPTGS1
SCHEMBL5603948 0.69 CYP3A4 (0.70) CYP3A4KMT2AMEN1HPGDPTGS1
SCHEMBL6858883 0.69 CYP3A4 (0.59) CYP3A4KMT2AMEN1HPGDPTGS1
SCHEMBL180437 0.69 CYP3A4 (0.70) CYP3A4KMT2AMEN1HPGDPTGS1
SCHEMBL11553319 0.68 CYP3A4 (0.65) CYP3A4KMT2AMEN1HPGDPTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171883-A1 ANTIVIRAL WIPER FUJIFILM CORPORATION (JP) 2021-06-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210171883-A1 ANTIVIRAL WIPER CGAS, PRKX, PDE4C CYP3A4 4047/4885KMT2A 1885/4885MEN1 3305/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.